Quantum Molecular Dynamics Simulations of Warm Dense Li Plasma

HTML  XML Download Download as PDF (Size: 5686KB)  PP. 189-217  
DOI: 10.4236/ojmsi.2017.54015    780 Downloads   1,757 Views  Citations
Author(s)

Affiliation(s)

ABSTRACT

The behavior of Li warm plasma (i.e. T in 1 eV range) is reported for a range of temperatures () and densities ( ), spanning moderate to dense conditions. Quantum Molecular Dynamics (QMD), in Carr-Parinello approach, is used to advance and equilibrate an ensemble of 54 Li atoms at desired temperature and density. The charge distribution and ions positions are further input in a DFT finite temperature calculation, producing, self consistently, a large number of energy levels (300 - 1500) and occupation numbers, from which real and imaginary parts of the dielectric function are obtained. Optical quantities like index of refraction, reflectivity, absorption coefficients and Rosseland means are deduced. Zero frequency static conductivity , diffusion coefficients and a Hugoniot curve are calculated.

Share and Cite:

Kahane, S. (2017) Quantum Molecular Dynamics Simulations of Warm Dense Li Plasma. Open Journal of Modelling and Simulation, 5, 189-217. doi: 10.4236/ojmsi.2017.54015.

Copyright © 2024 by authors and Scientific Research Publishing Inc.

Creative Commons License

This work and the related PDF file are licensed under a Creative Commons Attribution 4.0 International License.